3-chloranyl-N-(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 3-chloro-N-(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide CAS Name: 3-chloro-N-[6-(1-pyrrolidinyl)-8-benzo[b][1,4]benzoxazepinyl]benzenesulfonamide IUPAC Name: 3-chloro-N-(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 3-chloro-N-(6-pyrrolidinobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NS(=O)(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)NS(=O)(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H20ClN3O3S/c24-16-6-5-7-18(14-16)31(28,29)26-17-10-11-21-19(15-17)23(27-12-3-4-13-27)25-20-8-1-2-9-22(20)30-21/h1-2,5-11,14-15,26H,3-4,12-13H2